GN5
Summary
| Name: | 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE |
| Formula: | C17 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 281.352 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-(4-tert-butylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O/c1-17(2,3)12-8-6-11(7-9-12)14-19-15-13(16(21)20-14)5-4-10-18-15/h4-10,14H,1-3H3,(H,18,19)(H,20,21)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | CFBOGZARBYDHCN-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)[C@@H]2NC(=O)c3cccnc3N2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)C2Nc3c(cccn3)C(=O)N2 |
